SCHEMBL781504

SCHEMBL781504

CN(CCO)C(=O)COC(=O)COc1ccc(CCC(=O)N2CCC3(CC2)CNC(=NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 10/20 0.34
ALDH1A1 P00352 2/20 0.32
GHSR Q92847 1/20 0.32
POLB P06746 1/20 0.32
ENPP2 Q13822 1/20 0.30
ATXN2 Q99700 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL781503 1.00 SCNN1A (0.34) SCNN1AALDH1A1GHSRPOLBENPP2
SCHEMBL782978 0.93 SCNN1A (0.34) SCNN1AALDH1A1GHSRPOLBENPP2
SCHEMBL782976 0.93 SCNN1A (0.34) SCNN1AALDH1A1GHSRPOLBENPP2
SCHEMBL781987 0.91 SCNN1A (0.34) SCNN1AALDH1A1GHSRPOLBMEN1
SCHEMBL781989 0.91 SCNN1A (0.34) SCNN1AALDH1A1GHSRPOLBMEN1
SCHEMBL781784 0.91 SCNN1A (0.35) SCNN1AALDH1A1GHSRPOLBMEN1
SCHEMBL781786 0.91 SCNN1A (0.35) SCNN1AALDH1A1GHSRPOLBMEN1
SCHEMBL782165 0.89 POLB (0.43) SCNN1AALDH1A1GHSRPOLB
SCHEMBL782167 0.89 POLB (0.43) SCNN1AALDH1A1GHSRPOLB
SCHEMBL806915 0.89 SCNN1A (0.40) SCNN1AALDH1A1GHSRPOLBENPP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 US claimed
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A SCNN1A 6/4885ALDH1A1 2428/4885GHSR 1091/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.